CID 216264

Tosulur

Structural Information

Molecular Formula
C11H15NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCOC
InChI
InChI=1S/C11H15NO5S/c1-9-3-5-10(6-4-9)18(14,15)12-11(13)17-8-7-16-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKey
PQJSDDQJZWHYLB-UHFFFAOYSA-N
Compound name
2-methoxyethyl N-(4-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

273.0671 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07438 158.3
[M+Na]+ 296.05632 165.3
[M-H]- 272.05982 162.0
[M+NH4]+ 291.10092 174.6
[M+K]+ 312.03026 163.4
[M+H-H2O]+ 256.06436 151.7
[M+HCOO]- 318.06530 176.9
[M+CH3COO]- 332.08095 194.9
[M+Na-2H]- 294.04177 162.1
[M]+ 273.06655 164.4
[M]- 273.06765 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.